acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/905/905431-22-3.png)
methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 905431-22-3) is a chemical compound with molecular formula C18H25N3O5S and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H25N3O5S |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 0.4885 |
| Topological Polar Surface Area | 99.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.1515 |
| Heavy Atoms | 27 |
| Complexity | 724.82446 |
Chemical Identifiers
| CAS Number | 905431-22-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)N3CCN(CC3)CCO |
Product Overview
methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 905431-22-3), with molecular formula C18H25N3O5S and molecular weight 395.15 g/mol. IUPAC: methyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 0.4885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 99.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 905431-22-3.
What is the molecular formula of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C18H25N3O5S.
What is the molecular weight of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 395.15 g/mol.
Where can I buy methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[4-(2-hydroxyethyl)piperazin-1-yl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.